CID 86786

Methylisopelletierine

Structural Information

Molecular Formula
C9H17NO
SMILES
CC(=O)CC1CCCCN1C
InChI
InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3
InChIKey
TYHJMEIBGDDCPA-UHFFFAOYSA-N
Compound name
1-(1-methylpiperidin-2-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

36
Patents

155.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 135.7
[M+Na]+ 178.12023 140.9
[M-H]- 154.12373 137.1
[M+NH4]+ 173.16483 155.3
[M+K]+ 194.09417 140.1
[M+H-H2O]+ 138.12827 129.4
[M+HCOO]- 200.12921 154.0
[M+CH3COO]- 214.14486 178.2
[M+Na-2H]- 176.10568 139.0
[M]+ 155.13046 132.3
[M]- 155.13156 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe